SCHEMBL4329628

SCHEMBL4329628

COc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A9 P48067 1/20 0.47
KCNH2 Q12809 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4311984 0.97 NAMPT (0.49) NAMPTALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4319443 0.90 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2HTTCYP2C9
SCHEMBL4321006 0.87 RBP4 (0.52) ALDH1A1CYP2C9CYP2C19
SCHEMBL4317024 0.86 LMNA (0.58) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4429394 0.85 ALDH1A1 (0.55) NAMPTALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4317416 0.85 HTT (0.48) ALDH1A1MAPTSMN1; SMN2HTTCYP2C9
SCHEMBL4328352 0.85 HSD11B1 (0.58) ALDH1A1
SCHEMBL4320602 0.84 LMNA (0.58) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4321348 0.84 LMNA (0.55) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4314255 0.83 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US claimed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO claimed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 NAMPT 3332/4885ALDH1A1 3104/4885MAPT 2108/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.